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DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‑[(E)‑[4‑(dimethylamino) phenyl]methyleneamino]phenol
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The biological activities of some ternary nickel complexes with a Schiff base obtained from 4-dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base ( HL1) acts as a primary ligand whereas, anthranilic acid ( HL2), 2-nitroaniline ( HL3), alanine ( HL4) and histidine ( HL5) act as secondary ligand or co-ligand. The anticancer activity of these compounds was studied against human colon carcinoma (HCT-116), human hepatocellular liver carcinoma (HEPG-2) and human breast carcinoma (MCF-7) cell lines. As per the results, the compounds were active against the cell lines. The antioxidant activity of the same compounds was evaluated using DPPH (1,1-diphenyl-2-picryl-hydrazyl) radical scavenging and compared with ascorbic acid. The DFT computations for these compounds were made to understand the bonding mode by a GAUSSIAN 09 program. Moreover, a docking analysis using Autodock 4.2 software package was carried out against the tyrosine kinase receptor (PDB ID: 1M17). In addition, QSAR investigation was also performed to understand the biological potency of the ligand.

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Publication Date
Fri Jan 01 2021
Journal Name
Aip Conference Proceedings
Plasma levels and diagnostic utility of MMP-2 and TIMP-2 in the diagnosis of Iraqi women with breast tumor: A comparative study with Ca 15-3
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Publication Date
Wed Jan 01 2020
Journal Name
Research Journal Of Pharmacy And Technology
Structural, Spectral and Thermal studies of new bidentate Schiff base ligand type (NO) derived from Mebendazol and 4-Aminoantipyrine and it's metal complexes and evaluation of their biological activity
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Publication Date
Sat Sep 02 2023
Journal Name
Al-khwarizmi Engineering Journal (alkej)
Numerical Investigations on Heat Flow of Nanofluids in Ribs Tube Configurations
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Publication Date
Mon Jun 01 2015
Journal Name
Journal Of Engineering
Theoretical Investigations on the Structural Behavior of Biaxial Hollow Concrete Slabs
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This paper presents a numerical analysis using ANSYS finite element program to simulate the reinforced concrete slabs with spherical voids. Six full-scale one way bubbled slabs of (3000mm) length with rectangular cross-sectional area of (460mm) width and (150mm) depth are tested as simply supported under two-concentrated load. The results of the finite element model are presented and compared with the experimental data of the tested slabs. Material nonlinearities due to cracking and crushing of concrete and yielding of reinforcement are considered. The general behavior of the finite element models represented by the load-deflection curves at midspan, crack pattern, ultimate load, load-concrete strain curves and failure m

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Publication Date
Sat Sep 30 2017
Journal Name
Al-khwarizmi Engineering Journal
Numerical Investigations on Heat Flow of Nanofluids in Ribs Tube Configurations
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Abstract

In this paper presents two dimensional turbulent flow of different nanofluids and ribs configuration in a circular tube have been numerically investigation using FLUENT 6.3.26. Two samples of CuO and, ZnO nanoparticles with 2% v/v concentration and 40 nm as nanoparticle diameter combined with trapezoidalribs with aspect ratio of p/d=5.72 in a constant tube surface heat flux were conducted for simulation. The results showed that heat flow as Nusselt number for all cases raises with Reynolds number and volume fraction of nanofluid, likewise the results also reveal that ZnO with volume fractions of 2% in trapezoidal ribs offered highest Nusselt number at Reynolds number of Re= 30000.

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Publication Date
Sat Feb 26 2022
Journal Name
Iraqi Journal Of Science
Effects of Lipid Peroxidation, Thyroid Hormones, and Some Vitamins in Type 2 Diabetic Patients
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   One of the most common forms of diabetes is Type-2 that occurs due to the failure of cells in recognizing and responding to insulin if not accurately treated. The aim of this work is to evaluate the relations of thyroid hormones, vitamins, and lipid peroxidation with the glycemic index in patients experiencing Type-2 diabetes. Some tests of biochemical parameters and vitamins were conducted on 35 patients experiencing Diabetes Mellitus (DM) and 35 healthy subjects. The results indicated the increase in the levels of MDA (3.86 ± 0.97 µmol/L), HbA1c (8.27 ± 1.66 %), FBS (198.34 ± 32.41 mg/dl) and TSH (5.67 ±0.34 mIU/L) in the blood of diabetic subjects in comparison to the controls at a P value lower than 0.05. These incr

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Publication Date
Wed Mar 25 2020
Journal Name
International Journal Of Drug Delivery Technology
Study of Molecular Interaction for Antibiotic Drug with Sugar Solutions at Different Temperature
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The interactions of drug amoxicillin with maltose or galactose solutions with a variation of temperature have been discussed by taking in the volumetric and viscometric procedures. Physical properties [densities (ρ) and viscosities (η)] of amoxicillin (AMOX) aqueous solutions and aqueous solutions of two type saccharides (maltose and galactose 0.05m) have been measured at T = (298.15, 303.15 and 308.15) K under atmospheric pressure. The apparent molar volume (ϕv cm3mole-1) has been evaluated from density data and fitted to a Redlich-Mayer equation. The empirical parameters of the Mayer-Redlich equation and apparent molar volume at infinite dilution Ø°v were explicated in terms of interactions from type solute-solvent and solute

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Publication Date
Thu Sep 29 2016
Journal Name
Enzyme Research
Molecular Analysis of CYP21A2 Gene Mutations among Iraqi Patients with Congenital Adrenal Hyperplasia
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Congenital adrenal hyperplasia is a group of autosomal recessive disorders. The most frequent one is 21-hydroxylase deficiency. Analyzing CYP21A2 gene mutations was so far not reported in Iraq. This work aims to analyze the spectrum and frequency of CYP21A2 mutations among Iraqi CAH patients. Sixty-two children were recruited from the Pediatric Endocrine Consultation Clinic, Children Welfare Teaching Hospital, Baghdad, Iraq, from September 2014 till June 2015. Their ages ranged between one day and 15 years. They presented with salt wasting, simple virilization, or pseudoprecocious puberty. Cytogenetic study was performed for cases with ambiguous genitalia. Molecular analysis of

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Publication Date
Sun Nov 13 2022
Journal Name
Journal Of Kufa For Chemical Sciences
Preparation, characterisation and biological activity of some metal complexes derived from new dithiocarbamate of heterocyclic ligand
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In this study, synthesised new ligand: potassium 2,2'-(quinoxaline-2,3- diyl)bis(1-phenylhydrazinecarbodithioate) (L). The ligand synthesised by reacting N1,N2-dip-tolyloxalamide as the starting material with CS2 and KOH to add the CS2 group and then with phenylendiammine to achieve (L). The ligand used in the synthesis of complexes with (CoII, NiII and CdII). The new ligand and its complexes characterised by FT-IR, UV-Vis, 1H, 13C-NMR, Mass spectroscopy, and elemental analysis, in addition to the above techniques were using magnetic moment, atomic absorption, chloride content, and melting point to describe the metal complexes.

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Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
On semi strongly (E, F)-convex functions and semi strongly (E, F)-convex optimization problems
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Abstract<p>In this paper, a new class of non-convex functions called semi strongly (<italic>E, F</italic>)-convex functions are presented. This class represents a natural extension of semi strongly <italic>E</italic>-convex functions shown in the literature. Different properties of this class of functions are discussed. Optimality properties of constrained optimization problems in which the objective function or the inequality constraints functions are semi strongly (<italic>E, F</italic>)-convex are proved for this class.</p>
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